2,2-dimethyl-5-(2-methyl-1,3-dioxolan-2-yl)pentanal

C11H20O3 — CID 22996442

IUPAC2,2-dimethyl-5-(2-methyl-1,3-dioxolan-2-yl)pentanal
SMILESCC(C)(C=O)CCCC1(C)OCCO1
InChIInChI=1S/C11H20O3/c1-10(2,9-12)5-4-6-11(3)13-7-8-14-11/h9H,4-8H2,1-3H3
InChIKeyJCHNMHFLIVEQOF-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.14
Rot. Bonds5

About 2,2-dimethyl-5-(2-methyl-1,3-dioxolan-2-yl)pentanal

2,2-dimethyl-5-(2-methyl-1,3-dioxolan-2-yl)pentanal (PubChem CID 22996442) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2,2-dimethyl-5-(2-methyl-1,3-dioxolan-2-yl)pentanal.

Molecular Properties

Compound Name2,2-dimethyl-5-(2-methyl-1,3-dioxolan-2-yl)pentanal
PubChem CID22996442
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2,2-dimethyl-5-(2-methyl-1,3-dioxolan-2-yl)pentanal
SMILESCC(C)(C=O)CCCC1(C)OCCO1
InChIInChI=1S/C11H20O3/c1-10(2,9-12)5-4-6-11(3)13-7-8-14-11/h9H,4-8H2,1-3H3
InChIKeyJCHNMHFLIVEQOF-UHFFFAOYSA-N
XLogP2.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2,2-dimethyl-5-(2-methyl-1,3-dioxolan-2-yl)pentanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7,7-Dimethyl-1,4-dioxaspiro[4.5]decan-8-one
CID 11171389
(7S,8S)-8-fluoro-7-methyl-1,4-dioxaspiro[4.5]decane-7-carbaldehyde
CID 170942539
7-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2,2-dimethylheptan-3-one
CID 11791366
2-(8-Methyl-1,4-dioxaspiro[4.5]decan-8-yl)acetaldehyde
CID 23243320
3,7-Dimethyl-6,7-isopropylidenedioxyoctanal
CID 129742784
2,2-Dimethyl-5-(2-methyl-[1,3]dioxolan-2-yl)pentanoic acid, methyl ester
CID 560059
3-(7-Methyl-1,4-dioxaspiro[4.5]decan-7-yl)propanal
CID 10632335
cis-(1S,3R)-2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopropane-1-carbaldehyde
CID 10954862
3-(1,3-Dioxolan-2-yl)-3-ethylheptanal
CID 21602178
(3R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylhexanal
CID 15224148
1-(2-Pentyl-1,3-dioxolan-2-yl)cyclopropane-1-carbaldehyde
CID 22042318
1-(2-Hexyl-1,3-dioxolan-2-yl)cyclopropane-1-carbaldehyde
CID 22042370

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(2-methyl-1,3-dioxolan-2-yl)pentanal?
The IUPAC name of 2,2-dimethyl-5-(2-methyl-1,3-dioxolan-2-yl)pentanal (CID 22996442) is 2,2-dimethyl-5-(2-methyl-1,3-dioxolan-2-yl)pentanal.
What is the SMILES notation for 2,2-dimethyl-5-(2-methyl-1,3-dioxolan-2-yl)pentanal?
The canonical SMILES for 2,2-dimethyl-5-(2-methyl-1,3-dioxolan-2-yl)pentanal is CC(C)(C=O)CCCC1(C)OCCO1.
What is the InChIKey of 2,2-dimethyl-5-(2-methyl-1,3-dioxolan-2-yl)pentanal?
The InChIKey is JCHNMHFLIVEQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-10(2,9-12)5-4-6-11(3)13-7-8-14-11/h9H,4-8H2,1-3H3.
What are the key properties of 2,2-dimethyl-5-(2-methyl-1,3-dioxolan-2-yl)pentanal?
2,2-dimethyl-5-(2-methyl-1,3-dioxolan-2-yl)pentanal has a molecular weight of 200.28 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(2-methyl-1,3-dioxolan-2-yl)pentanal is sourced from PubChem (CID 22996442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).